1-aminoethoxy(trimethyl)azanium

C5H15N2O+ — CID 175514420

IUPAC1-aminoethoxy(trimethyl)azanium
SMILESCC(N)O[N+](C)(C)C
InChIInChI=1S/C5H15N2O/c1-5(6)8-7(2,3)4/h5H,6H2,1-4H3/q+1
InChIKeyMMNLTKPYNREWRG-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.07
Rot. Bonds2

About 1-aminoethoxy(trimethyl)azanium

1-aminoethoxy(trimethyl)azanium (PubChem CID 175514420) has the molecular formula C5H15N2O+ and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-aminoethoxy(trimethyl)azanium.

Molecular Properties

Compound Name1-aminoethoxy(trimethyl)azanium
PubChem CID175514420
Molecular FormulaC5H15N2O+
Molecular Weight119.19 g/mol
Exact Mass119.12
IUPAC Name1-aminoethoxy(trimethyl)azanium
SMILESCC(N)O[N+](C)(C)C
InChIInChI=1S/C5H15N2O/c1-5(6)8-7(2,3)4/h5H,6H2,1-4H3/q+1
InChIKeyMMNLTKPYNREWRG-UHFFFAOYSA-N
XLogP-0.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethoxy(trimethyl)azanium?
The IUPAC name of 1-aminoethoxy(trimethyl)azanium (CID 175514420) is 1-aminoethoxy(trimethyl)azanium.
What is the SMILES notation for 1-aminoethoxy(trimethyl)azanium?
The canonical SMILES for 1-aminoethoxy(trimethyl)azanium is CC(N)O[N+](C)(C)C.
What is the InChIKey of 1-aminoethoxy(trimethyl)azanium?
The InChIKey is MMNLTKPYNREWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O/c1-5(6)8-7(2,3)4/h5H,6H2,1-4H3/q+1.
What are the key properties of 1-aminoethoxy(trimethyl)azanium?
1-aminoethoxy(trimethyl)azanium has a molecular weight of 119.19 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethoxy(trimethyl)azanium is sourced from PubChem (CID 175514420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).